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Selectivity of Cobalt Corrole for CO vs. O(2) and N(2) in Indoor Pollution
Coal combustion causes indoor pollution of CO. In this work, DFT calculations on cobalt corrole (Co(Cor)) with three most common indoor gas molecules (N(2), O(2) and CO) were performed. The Mulliken spin densities show that the ground states of Co(N(2))(Cor), Co(CO)(Cor) and Co(OC)(Cor) have an anti...
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| Publicado no: | Sci Rep |
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| Main Authors: | , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
Nature Publishing Group UK
2017
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5674038/ https://ncbi.nlm.nih.gov/pubmed/29109459 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/s41598-017-15228-5 |
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